SorbNet
SorbNet is a free, open-source deep neural network for the prediction of adsorption data for binary mixtures over large temperature and pressure ranges that can be used to optimize adsorption/desorption conditions. Example datasets and Python notebooks are provided.
Software Application
Documentation
Publications
Y. Sun, R. F. DeJaco, J. I. Siepmann, Deep Neural Network Learning of Complex Binary Sorption Equilibria from Molecular Simulation Data, Chem. Sci. 2019, 10, 4377–4388
CCS Contributor(s)
Software Contributions Supported by CCS award
This center (NMGC) is the sole developer of SorbNet.
Summary
SorbNet is a free, open-source deep neural network for the prediction of adsorption data for binary mixtures over large temperature and pressure ranges that can be used to optimize adsorption/desorption conditions.